2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H28N4O/c25-19(21-16-8-2-1-3-9-16)14-24-12-6-7-15(13-24)20-22-17-10-4-5-11-18(17)23-20/h4-5,10-11,15-16H,1-3,6-9,12-14H2,(H,21,25)(H,22,23)/p+1/t15-/m0/s1